Chemoinformaics analysis of L-camphor
Molecular Weight | 152.237 | nRot | 0 |
Heavy Atom Molecular Weight | 136.109 | nRig | 9 |
Exact Molecular Weight | 152.12 | nRing | 2 |
Solubility: LogS | -1.825 | nHRing | 0 |
Solubility: LogP | 2.209 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 27 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 10 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 28.1707 |
nHD | 0 | BPOL | 16.9193 |
QED | 0.521 |
Synth | 4.12 |
Natural Product Likeliness | 2.073 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.073 |
Pgp-sub | 0.001 |
HIA | 0.004 |
CACO-2 | -4.579 |
MDCK | 0.0000229 |
BBB | 0.325 |
PPB | 0.627012 |
VDSS | 0.747 |
FU | 0.498625 |
CYP1A2-inh | 0.076 |
CYP1A2-sub | 0.681 |
CYP2c19-inh | 0.275 |
CYP2c19-sub | 0.903 |
CYP2c9-inh | 0.049 |
CYP2c9-sub | 0.289 |
CYP2d6-inh | 0.008 |
CYP2d6-sub | 0.204 |
CYP3a4-inh | 0.069 |
CYP3a4-sub | 0.466 |
CL | 16.151 |
T12 | 0.523 |
hERG | 0.009 |
Ames | 0.035 |
ROA | 0.777 |
SkinSen | 0.192 |
Carcinogencity | 0.888 |
EI | 0.975 |
Respiratory | 0.972 |
NR-Aromatase | 0.039 |
Antiviral | No |
Prediction | 0.927052 |